3-(4-methylsulfonylphenoxy)-2-[3-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]phenoxy]propanoic acid

Systemtic Name: 3-(4-methylsulfonylphenoxy)-2-[3-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]phenoxy]propanoic acid Openeye Name: 3-(4-methylsulfonylphenoxy)-2-[3-[(4-methylthiazol-2-yl)carbamoyl]phenoxy]propanoic acid CAS Name: 3-(4-methylsulfonylphenoxy)-2-[3-[[(4-methyl-2-thiazolyl)amino]-oxomethyl]phenoxy]propanoic acid IUPAC Name: 3-(4-methylsulfonylphenoxy)-2-[3-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]phenoxy]propanoic acid Traditional Name: 3-(4-mesylphenoxy)-2-[3-[(4-methylthiazol-2-yl)carbamoyl]phenoxy]propionic acid Formula: C21H20N2O7S2 MolecularWeight: 476.5227

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)NC(=O)C2=CC(=CC=C2)OC(COC3=CC=C(C=C3)S(=O)(=O)C)C(=O)O

Isomeric SMILES

CC1=CSC(=N1)NC(=O)C2=CC(=CC=C2)OC(COC3=CC=C(C=C3)S(=O)(=O)C)C(=O)O

InChI

InChI=1S/C21H20N2O7S2/c1-13-12-31-21(22-13)23-19(24)14-4-3-5-16(10-14)30-18(20(25)26)11-29-15-6-8-17(9-7-15)32(2,27)28/h3-10,12,18H,11H2,1-2H3,(H,25,26)(H,22,23,24)